4ZZZ

Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor

Summary for 4ZZZ

• Entry DOI: 10.2210/pdb4zzz/pdb
• Related: 4ZZX 4ZZY 5A00
• Descriptor: POLY [ADP-RIBOSE] POLYMERASE 1, SULFATE ION, GLYCEROL, ... (5 entities in total)
• Functional Keywords: transferase, human parp1, artd1
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 2
• Total formula weight: 81997.56

Authors

Casale, E.,Fasolini, M.,Papeo, G.,Posteri, H.,Borghi, D.,Busel, A.A.,Caprera, F.,Ciomei, M.,Cirla, A.,Corti, E.,DAnello, M.,Fasolini, M.,Felder, E.R.,Forte, B.,Galvani, A.,Isacchi, A.,Khvat, A.,Krasavin, M.Y.,Lupi, R.,Orsini, P.,Perego, R.,Pesenti, E.,Pezzetta, D.,Rainoldi, S.,RiccardiSirtori, F.,Scolaro, A.,Sola, F.,Zuccotto, F.,Donati, D.,Montagnoli, A. (deposition date: 2015-04-15, release date: 2015-08-12, Last modification date: 2019-03-06)

• Primary citation: Papeo, G.M.E.,Posteri, H.,Borghi, D.,Busel, A.A.,Caprera, F.,Casale, E.,Ciomei, M.,Cirla, A.,Corti, E.,D'Anello, M.,Fasolini, M.,Forte, B.,Galvani, A.,Isacchi, A.,Khvat, A.,Krasavin, M.Y.,Lupi, R.,Orsini, P.,Perego, R.,Pesenti, E.,Pezzetta, D.,Rainoldi, S.,Riccardi-Sirtori, F.,Scolaro, A.,Sola, F.,Zuccotto, F.,Felder, E.R.,Donati, D.,Montagnoli, A.; Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.; J.Med.Chem., 58:6875-, 2015; PubMed: 26222319; DOI: 10.1021/ACS.JMEDCHEM.5B00680

Experimental method

X-RAY DIFFRACTION (1.9 Å)